Geometry & MOs

Info

ID:	246070
PubChem CID:	103041423
Reduced:	FNCl2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	261.072055
ΔH_f, kcal/mol:	-66.08
Dipole, Da:	2.96
IP(EA), eV:	-9.41(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole

Drug info:

PubChemData

Smile

CCC(CCNCC1=CC(=C(C=C1)F)Cl)Cl

DOS

IR

Vibrations